3-chloro-5-methyl-4-phenyl-1,2-thiazole

C10H8ClNS — CID 57108416

IUPAC3-chloro-5-methyl-4-phenyl-1,2-thiazole
SMILESCc1snc(Cl)c1-c1ccccc1
InChIInChI=1S/C10H8ClNS/c1-7-9(10(11)12-13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyIWHDJVJWBONHKV-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.77
Rot. Bonds1

About 3-chloro-5-methyl-4-phenyl-1,2-thiazole

3-chloro-5-methyl-4-phenyl-1,2-thiazole (PubChem CID 57108416) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3-chloro-5-methyl-4-phenyl-1,2-thiazole
PubChem CID57108416
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name3-chloro-5-methyl-4-phenyl-1,2-thiazole
SMILESCc1snc(Cl)c1-c1ccccc1
InChIInChI=1S/C10H8ClNS/c1-7-9(10(11)12-13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyIWHDJVJWBONHKV-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine
CID 58089417
(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol
CID 90418369
2,5-dichloro-3,4-diphenylfuran
CID 139844341
3-chloro-6-phenyl-1,2-benzothiazole
CID 129031299
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159
1,4,5-trichloroindeno[2,1-d]thiazine
CID 11781215
2-(tert-butylsulfanylmethyl)-4,6-dichloro-5-phenylpyrimidine
CID 65431005
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2,3,5,6-tetramethyl-4-phenylpyrylium
CID 23254471
5-chloro-3-methyl-2,4-diphenylpyridine
CID 175042905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-phenyl-1,2-thiazole?
The IUPAC name of 3-chloro-5-methyl-4-phenyl-1,2-thiazole (CID 57108416) is 3-chloro-5-methyl-4-phenyl-1,2-thiazole.
What is the SMILES notation for 3-chloro-5-methyl-4-phenyl-1,2-thiazole?
The canonical SMILES for 3-chloro-5-methyl-4-phenyl-1,2-thiazole is Cc1snc(Cl)c1-c1ccccc1.
What is the InChIKey of 3-chloro-5-methyl-4-phenyl-1,2-thiazole?
The InChIKey is IWHDJVJWBONHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c1-7-9(10(11)12-13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 3-chloro-5-methyl-4-phenyl-1,2-thiazole?
3-chloro-5-methyl-4-phenyl-1,2-thiazole has a molecular weight of 209.70 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-phenyl-1,2-thiazole is sourced from PubChem (CID 57108416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).